[(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate

C41H47F17N2O7Si — CID 23728482

About [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate

[(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate (PubChem CID 23728482) has the molecular formula C41H47F17N2O7Si and a molecular weight of 1030.89 g/mol. Its IUPAC name is [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate
• PubChem CID: 23728482
• Molecular Formula: C41H47F17N2O7Si
• Molecular Weight: 1030.89 g/mol
• Exact Mass: 1030.29
• IUPAC Name: [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate
• SMILES: COc1ccc(NC(=O)O[C@@H](c2ccc(OCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C)cc2)[C@H](C)C/C=C/C=C/C(=O)NO)cc1
• InChI: InChI=1S/C41H47F17N2O7Si/c1-24(2)68(25(3)4,23-20-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58)66-22-21-65-30-16-12-27(13-17-30)32(26(5)10-8-7-9-11-31(61)60-63)67-33(62)59-28-14-18-29(64-6)19-15-28/h7-9,11-19,24-26,32,63H,10,20-23H2,1-6H3,(H,59,62)(H,60,61)/b8-7+,11-9+/t26-,32-/m1/s1
• InChIKey: AXNKKPDRMRXPID-PJXZAUDISA-N
• XLogP: 13.19
• TPSA: 115.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.89
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate?

The IUPAC name of [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate (CID 23728482) is [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate.

What is the SMILES notation for [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate?

The canonical SMILES for [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)O[C@@H](c2ccc(OCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C)cc2)[C@H](C)C/C=C/C=C/C(=O)NO)cc1.

What is the InChIKey of [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate?

The InChIKey is AXNKKPDRMRXPID-PJXZAUDISA-N. The full InChI is InChI=1S/C41H47F17N2O7Si/c1-24(2)68(25(3)4,23-20-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58)66-22-21-65-30-16-12-27(13-17-30)32(26(5)10-8-7-9-11-31(61)60-63)67-33(62)59-28-14-18-29(64-6)19-15-28/h7-9,11-19,24-26,32,63H,10,20-23H2,1-6H3,(H,59,62)(H,60,61)/b8-7+,11-9+/t26-,32-/m1/s1.

What are the key properties of [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate?

[(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate has a molecular weight of 1030.89 g/mol, XLogP of 13.19, 25 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,4E,6E)-1-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-8-(hydroxyamino)-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 23728482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).